1-Bromo-4-methoxyisoquinoline - CAS 1421517-83-0
Catalog: |
BB009309 |
Product Name: |
1-Bromo-4-methoxyisoquinoline |
CAS: |
1421517-83-0 |
Synonyms: |
1-bromo-4-methoxyisoquinoline; 1-bromo-4-methoxyisoquinoline |
IUPAC Name: | 1-bromo-4-methoxyisoquinoline |
Description: | 1-Bromo-4-methoxyisoquinoline (CAS# 1421517-83-0) is a useful research chemical. |
Molecular Weight: | 238.08 |
Molecular Formula: | C10H8BrNO |
Canonical SMILES: | COC1=CN=C(C2=CC=CC=C21)Br |
InChI: | InChI=1S/C10H8BrNO/c1-13-9-6-12-10(11)8-5-3-2-4-7(8)9/h2-6H,1H3 |
InChI Key: | YCFPDPSSGCHYGR-UHFFFAOYSA-N |
LogP: | 3.00590 |
Complexity: | 176 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 236.97893 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 236.97893 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 22.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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